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Mechanism, Reactivity, and Selectivity in Rh(III)-Catalyzed Phosphoryl-Directed Oxidative C-H Activation/Cyclization: A DFT Study 期刊论文
http://dx.doi.org/10.1021/jo500616g, 2014
Liu, Liu; Wu, Yile; Wang, Tao; Gao, Xiang; Zhu, Jun; Zhao, Yufen; 汪涛; 朱军; 赵玉芬
收藏  |  浏览/下载:5/0  |  提交时间:2015/07/22
Computations Offer an Unconventional Route to Metallaphosphabenzene from a Half-Phosphametallocene 期刊论文
http://dx.doi.org/10.1021/om401188v, 2014
Huang, Chao; Hao, Yulei; Zhao, Yufen; Zhu, Jun; 赵玉芬; 朱军
收藏  |  浏览/下载:3/0  |  提交时间:2015/07/22
Experimental and Theoretical Study on Palladium-Catalyzed C-P Bond Formation via Direct Coupling of Triarylbismuths with P(O)-H Compounds 期刊论文
http://dx.doi.org/10.1021/jo402392t, 2014
Wang, Tao; Sang, Shuai; Liu, Liu; Qiao, Hongwei; Gao, Yuxing; Zhao, Yufen; 王涛; 赵玉芬
收藏  |  浏览/下载:4/0  |  提交时间:2015/07/22
Analytical derivative techniques for TDDFT excited-state properties: Theory and application 期刊论文
http://dx.doi.org/10.1007/s11426-013-5006-6, 2014
Chen DanPing; Liu Jie; Ma HuiLi; Zeng Qiao; Liang WanZhen; 刘婕; 梁万珍
收藏  |  浏览/下载:4/0  |  提交时间:2015/07/22
Frequency estimation of single tone signals with bit transition 期刊论文
http://dx.doi.org/10.1049/iet-spr.2014.0179, 2014
Peng, Ao; Ou, Gang; Shi, Mingxing; 欧钢
收藏  |  浏览/下载:4/0  |  提交时间:2015/07/22
能量分解方法的应用研究 学位论文
2014, 2013
刘辉
收藏  |  浏览/下载:4/0  |  提交时间:2016/01/14
GKS-EDA方法的应用研究 学位论文
2014, 2014
蒋振
收藏  |  浏览/下载:6/0  |  提交时间:2016/01/12
Theoretical study on the hydrogen abstraction reactions of CF3CHFCF3 and CF3CF2CHF2 with X atoms (X = F, Cl, and Br) 期刊论文
http://dx.doi.org/10.1016/j.jfluchem.2013.03.004, 2013
Fan, Yanhua; Wen, Jinmiao; Zhao, Yuan; Wang, Li; 赵媛
收藏  |  浏览/下载:8/0  |  提交时间:2015/07/22
Nonfitting protein-ligand interaction scoring function based on first-principles theoretical chemistry methods: Development and application on kinase inhibitors 期刊论文
http://dx.doi.org/10.1002/jcc.23303, 2013
Rao, Li; Zhang, Igor Ying; Guo, Wenping; Feng, Li; Meggers, Eric; Xu, Xin; 徐昕; ERIC MEGGERS
收藏  |  浏览/下载:5/0  |  提交时间:2015/07/22
Acyclic Germylones: Congeners of Allenes with a Central Germanium Atom 期刊论文
http://dx.doi.org/10.1021/ja406112u, 2013
Li, Yan; Mondal, Kartik Chandra; Roesky, Herbert W.; Zhu, Hongping; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; 李彦; 朱红平
收藏  |  浏览/下载:2/0  |  提交时间:2015/07/22


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